Phosphonic acid, (1-hydroxyethylidene)bis- (CAS 2809-21-4) — Citrus N/A Note Fragrance Ingredient
Phosphonic acid, (1-hydroxyethylidene)bis-
CAS 2809-21-4
What Is Phosphonic acid, (1-hydroxyethylidene)bis-?
Phosphonic acid, (1-hydroxyethylidene)bis- is a synthetic chemical compound primarily used in industrial applications rather than consumer products. It’s encountered in specialized formulations like water treatment systems and metal finishing processes. While not a fragrance ingredient, this compound plays a crucial role in chelation and scale inhibition. Its chemical properties make it valuable for preventing mineral deposits in industrial equipment and water systems.
Safety Profile
PROFESSIONAL USEWhat Does Phosphonic acid, (1-hydroxyethylidene)bis- Smell Like?
This compound is odorless in pure form and is not used as a fragrance material. As an industrial chemical, its functional properties rather than olfactory characteristics are the primary considerations for its applications in water treatment and metal processing.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
2D Molecular Structure
SMILES: CC(O)(P(O)(O)=O)P(O)(O)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
Phosphonic acid, (1-hydroxyethylidene)bis- belongs to the phosphonate class of organophosphorus compounds. It functions as an effective chelating agent due to its ability to form stable complexes with metal ions. The compound is synthesized through reactions involving phosphorous acid derivatives and carbonyl compounds. Its molecular structure features two phosphonic acid groups attached to a central carbon atom, creating a highly stable configuration that resists hydrolysis.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|
Classic Accords
Tip: This compound is not used in fragrance formulation.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not regulated by IFRA as it’s not a fragrance ingredient.
RIFM Assessment
Not evaluated by RIFM as it’s not a fragrance material.
Sustainability
As an industrial chemical, its environmental impact is managed through controlled industrial processes and wastewater treatment. The compound’s persistence in the environment requires proper handling and disposal procedures to minimize ecological effects.
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Physicochemical Properties
DTXSID: DTXSID6023028
Physical Properties
| Molecular Weight | 206.027 g/mol🔬 EPA CompTox |
| Density | 1.979 g/cm^3📊 OPERA |
| Boiling Point | 425.692 °C📊 OPERA |
| Melting Point | 204.911 °C📊 OPERA |
| Flash Point | 276.074 °C📊 OPERA |
| Refractive Index | 1.586 Dimensionless📊 OPERA |
| Molar Volume | 97.421 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | -3.65 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | -4.763 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | -6.038 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.46 Log10 unitless📊 OPERA |
| Water Solubility | 2.69 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Surface Tension | 139.296 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 135.29 Ų💻 Computed |
| H-Bond Donors | 5 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 32.702 cm^3/mol📊 OPERA |
| Polarizability | 12.964 Å^3📊 OPERA |
Data Sources:
🔬 EPA Experimental data from U.S. EPA CompTox Chemicals Dashboard & CTX APIs. 📊 OPERA Predicted using EPA's OPERA QSAR models. 💻 Computed Calculated from SMILES using RDKit.
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